CHEBI:31391 - Cherylline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cherylline
ChEBI ID CHEBI:31391
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C17H19NO3
Net Charge 0
Average Mass 285.338
Monoisotopic Mass 285.13649
InChI InChI=1S/C17H19NO3/c1-18-9-12-7-16(20)17(21-2)8-14(12)15(10-18)11-3-5-13(19)6-4-11/h3-8,15,19-20H,9-10H2,1-2H3/t15-/m0/s1
InChIKey VXXVFIKKBBVGIR-HNNXBMFYSA-N
SMILES COc1cc2[C@@H](CN(C)Cc2cc1O)c1ccc(O)cc1
ChEBI Ontology
Outgoing Cherylline (CHEBI:31391) is a isoquinolines (CHEBI:24922)
Synonym Source
Cherylline KEGG COMPOUND
Manual Xrefs Databases
C00024372 KNApSAcK
C00024385 KNApSAcK
C00028042 KNApSAcK
C12167 KEGG COMPOUND
View more database links
Last Modified
28 July 2014